3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide

C20H31N3O2 — CID 86990789

IUPAC3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NCCCN2CCCC(C)C2)c1
InChIInChI=1S/C20H31N3O2/c1-15-7-4-9-18(13-15)20(25)22-17(3)19(24)21-10-6-12-23-11-5-8-16(2)14-23/h4,7,9,13,16-17H,5-6,8,10-12,14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyORSRYIRZGQBMEI-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.35
Rot. Bonds7

About 3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide

3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 86990789) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide
PubChem CID86990789
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NCCCN2CCCC(C)C2)c1
InChIInChI=1S/C20H31N3O2/c1-15-7-4-9-18(13-15)20(25)22-17(3)19(24)21-10-6-12-23-11-5-8-16(2)14-23/h4,7,9,13,16-17H,5-6,8,10-12,14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyORSRYIRZGQBMEI-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 133160653
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 94119670
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide (CID 86990789) is 3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide is Cc1cccc(C(=O)NC(C)C(=O)NCCCN2CCCC(C)C2)c1.
What is the InChIKey of 3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is ORSRYIRZGQBMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-7-4-9-18(13-15)20(25)22-17(3)19(24)21-10-6-12-23-11-5-8-16(2)14-23/h4,7,9,13,16-17H,5-6,8,10-12,14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide?
3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 345.49 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 86990789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).